CID 214469

Brn 1084854

Structural Information

Molecular Formula
C15H14N2O3S
SMILES
CN(C)S(=O)(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3
InChI
InChI=1S/C15H14N2O3S/c1-17(2)21(18,19)12-8-9-14-13(10-12)15(20-16-14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey
WPNDZFSCVCANIU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenyl-2,1-benzoxazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0725 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07978 167.0
[M+Na]+ 325.06172 177.9
[M-H]- 301.06522 176.8
[M+NH4]+ 320.10632 183.4
[M+K]+ 341.03566 175.6
[M+H-H2O]+ 285.06976 159.9
[M+HCOO]- 347.07070 187.0
[M+CH3COO]- 361.08635 204.3
[M+Na-2H]- 323.04717 173.2
[M]+ 302.07195 174.6
[M]- 302.07305 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.